methyl 3-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-29-19(25)12-16(14-5-3-2-4-6-14)22-20(26)15-7-8-17(18(11-15)24(27)28)23-10-9-21-13-23/h2-11,13,16H,12H2,1H3,(H,22,26)