methyl 2-[4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-nitro-phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[[(4S)-chroman-4-yl]amino]-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-[[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-3-nitrophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-[[(4S)-chroman-4-yl]amino]-3-nitro-benzoyl]benzoic acid methyl ester Formula: C24H20N2O6 MolecularWeight: 432.4254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC3CCOC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N[C@H]3CCOC4=CC=CC=C34)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O6/c1-31-24(28)17-7-3-2-6-16(17)23(27)15-10-11-20(21(14-15)26(29)30)25-19-12-13-32-22-9-5-4-8-18(19)22/h2-11,14,19,25H,12-13H2,1H3/t19-/m0/s1