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

Systemtic Name: 2-(cyclohexylamino)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(cyclohexylamino)-4-(2-nitroanilino)-4-oxo-butanoic acid CAS Name: 2-(cyclohexylamino)-4-(2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(cyclohexylamino)-4-(2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(cyclohexylamino)-4-keto-4-(2-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(18-12-8-4-5-9-14(12)19(23)24)10-13(16(21)22)17-11-6-2-1-3-7-11/h4-5,8-9,11,13,17H,1-3,6-7,10H2,(H,18,20)(H,21,22)