(2S,3R,4S)-2-(dimethoxymethyl)-2-methyl-4-[(5-methyl-2-oxidanyl-phenyl)-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]amino]-6-nitro-3,4-dihydrochromen-3-ol

Systemtic Name: (2S,3R,4S)-2-(dimethoxymethyl)-2-methyl-4-[(5-methyl-2-oxidanyl-phenyl)-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]amino]-6-nitro-3,4-dihydrochromen-3-ol Openeye Name: (2S,3R,4S)-2-(dimethoxymethyl)-4-[2-hydroxy-5-methyl-N-[(2-methyltetrazol-5-yl)methyl]anilino]-2-methyl-6-nitro-chroman-3-ol CAS Name: (2S,3R,4S)-2-(dimethoxymethyl)-4-[2-hydroxy-5-methyl-N-[(2-methyl-5-tetrazolyl)methyl]anilino]-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: (2S,3R,4S)-2-(dimethoxymethyl)-4-[2-hydroxy-5-methyl-N-[(2-methyltetrazol-5-yl)methyl]anilino]-2-methyl-6-nitro-3,4-dihydrochromen-3-ol Traditional Name: (2S,3R,4S)-2-(dimethoxymethyl)-4-[2-hydroxy-5-methyl-N-[(2-methyltetrazol-5-yl)methyl]anilino]-2-methyl-6-nitro-chroman-3-ol Formula: C23H28N6O7 MolecularWeight: 500.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)N(CC2=NN(N=N2)C)C3C(C(OC4=C3C=C(C=C4)[N+](=O)[O-])(C)C(OC)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1)O)N(CC2=NN(N=N2)C)[C@@H]3[C@H]([C@@](OC4=C3C=C(C=C4)[N+](=O)[O-])(C)C(OC)OC)O

InChI

InChI=1S/C23H28N6O7/c1-13-6-8-17(30)16(10-13)28(12-19-24-26-27(3)25-19)20-15-11-14(29(32)33)7-9-18(15)36-23(2,21(20)31)22(34-4)35-5/h6-11,20-22,30-31H,12H2,1-5H3/t20-,21+,23-/m0/s1