methyl 2-[(4-methyl-2-nitro-3-phenylmethoxy-phenyl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: methyl 2-[(4-methyl-2-nitro-3-phenylmethoxy-phenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: methyl 2-[(3-benzyloxy-4-methyl-2-nitro-benzoyl)amino]-3-hydroxy-butanoate CAS Name: 3-hydroxy-2-[[(4-methyl-2-nitro-3-phenylmethoxyphenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(4-methyl-2-nitro-3-phenylmethoxybenzoyl)amino]butanoate Traditional Name: 2-[(3-benzoxy-4-methyl-2-nitro-benzoyl)amino]-3-hydroxy-butyric acid methyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)OC)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)OC)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O7/c1-12-9-10-15(19(24)21-16(13(2)23)20(25)28-3)17(22(26)27)18(12)29-11-14-7-5-4-6-8-14/h4-10,13,16,23H,11H2,1-3H3,(H,21,24)