N-[(2S)-1-[(4-chloranyl-3-methoxy-1-oxidanylidene-isochromen-7-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(2S)-1-[(4-chloranyl-3-methoxy-1-oxidanylidene-isochromen-7-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-benzyl-2-[(4-chloro-3-methoxy-1-oxo-isochromen-7-yl)amino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[(2S)-1-[(4-chloro-3-methoxy-1-oxo-2-benzopyran-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide IUPAC Name: N-[(2S)-1-[(4-chloro-3-methoxy-1-oxoisochromen-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-benzyl-2-[(4-chloro-1-keto-3-methoxy-isochromen-7-yl)amino]-2-keto-ethyl]-4-nitro-benzamide Formula: C26H20ClN3O7 MolecularWeight: 521.9059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O1)Cl

Isomeric SMILES

COC1=C(C2=C(C=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O1)Cl

InChI

InChI=1S/C26H20ClN3O7/c1-36-26-22(27)19-12-9-17(14-20(19)25(33)37-26)28-24(32)21(13-15-5-3-2-4-6-15)29-23(31)16-7-10-18(11-8-16)30(34)35/h2-12,14,21H,13H2,1H3,(H,28,32)(H,29,31)/t21-/m0/s1