2-(cyclohexylamino)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(cyclohexylamino)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(cyclohexylamino)-4-(3-nitroanilino)-4-oxo-butanoic acid CAS Name: 2-(cyclohexylamino)-4-(3-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(cyclohexylamino)-4-(3-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(cyclohexylamino)-4-keto-4-(3-nitroanilino)butyric acid Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC(CC1)NC(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)