(2R)-2-(cyclohexylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(cyclohexylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(cyclohexylammonio)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(cyclohexylammonio)-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(cyclohexylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(cyclohexylammonio)-4-keto-4-(3-nitroanilino)butyrate Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H21N3O5/c20-15(18-12-7-4-8-13(9-12)19(23)24)10-14(16(21)22)17-11-5-2-1-3-6-11/h4,7-9,11,14,17H,1-3,5-6,10H2,(H,18,20)(H,21,22)/t14-/m1/s1