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

Systemtic Name: ethyl (2S)-2-[(4-aminocarbonyl-2-nitro-phenyl)amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-(4-carbamoyl-2-nitro-anilino)-3-phenyl-propanoate CAS Name: (2S)-2-(4-carbamoyl-2-nitroanilino)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-carbamoyl-2-nitroanilino)-3-phenylpropanoate Traditional Name: (2S)-2-(4-carbamoyl-2-nitro-anilino)-3-phenyl-propionic acid ethyl ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c1-2-26-18(23)15(10-12-6-4-3-5-7-12)20-14-9-8-13(17(19)22)11-16(14)21(24)25/h3-9,11,15,20H,2,10H2,1H3,(H2,19,22)/t15-/m0/s1