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

Systemtic Name: methyl 3-[[4-[(3-cyanophenyl)carbamoyl]-2-nitro-phenyl]amino]propanoate Openeye Name: methyl 3-[4-[(3-cyanophenyl)carbamoyl]-2-nitro-anilino]propanoate CAS Name: 3-[4-[(3-cyanoanilino)-oxomethyl]-2-nitroanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(3-cyanophenyl)carbamoyl]-2-nitroanilino]propanoate Traditional Name: 3-[4-[(3-cyanophenyl)carbamoyl]-2-nitro-anilino]propionic acid methyl ester Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCNC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5/c1-27-17(23)7-8-20-15-6-5-13(10-16(15)22(25)26)18(24)21-14-4-2-3-12(9-14)11-19/h2-6,9-10,20H,7-8H2,1H3,(H,21,24)