(2R)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(1-cyclohexenyl)ethylammonio]-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(cyclohexen-1-yl)ethylazaniumyl]-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[2-(cyclohexen-1-yl)ethylammonio]-4-keto-4-(3-nitroanilino)butyrate Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c22-17(20-14-7-4-8-15(11-14)21(25)26)12-16(18(23)24)19-10-9-13-5-2-1-3-6-13/h4-5,7-8,11,16,19H,1-3,6,9-10,12H2,(H,20,22)(H,23,24)/t16-/m1/s1