methyl 3-[(4-aminocarbonyl-2-nitro-phenyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[(4-aminocarbonyl-2-nitro-phenyl)amino]-3-phenyl-propanoate Openeye Name: methyl 3-(4-carbamoyl-2-nitro-anilino)-3-phenyl-propanoate CAS Name: 3-(4-carbamoyl-2-nitroanilino)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-(4-carbamoyl-2-nitroanilino)-3-phenylpropanoate Traditional Name: 3-(4-carbamoyl-2-nitro-anilino)-3-phenyl-propionic acid methyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-25-16(21)10-14(11-5-3-2-4-6-11)19-13-8-7-12(17(18)22)9-15(13)20(23)24/h2-9,14,19H,10H2,1H3,(H2,18,22)