2-[2-(cyclohexen-1-yl)ethylamino]-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(3-nitroanilino)-4-oxo-butanoic acid CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]-4-(3-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(3-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-[2-(cyclohexen-1-yl)ethylamino]-4-keto-4-(3-nitroanilino)butyric acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC(=CC1)CCNC(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)