methyl 3-[3-[(4-nitrophenyl)carbonylamino]propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[3-[(4-nitrophenyl)carbonylamino]propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[3-[(4-nitrobenzoyl)amino]propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-[(4-nitrobenzoyl)amino]propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-[(4-nitrobenzoyl)amino]propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-29-19(25)13-17(14-5-3-2-4-6-14)22-18(24)11-12-21-20(26)15-7-9-16(10-8-15)23(27)28/h2-10,17H,11-13H2,1H3,(H,21,26)(H,22,24)