[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-azanyl-6-benzamido-hexanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-azanyl-6-benzamido-hexanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-amino-6-benzamido-hexanoate CAS Name: 2-amino-6-benzamidohexanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-amino-6-benzamidohexanoate Traditional Name: 2-amino-6-benzamido-hexanoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCCC(C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCCC(C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C21H23N3O6/c22-18(11-4-5-12-23-20(26)15-7-2-1-3-8-15)21(27)30-14-19(25)16-9-6-10-17(13-16)24(28)29/h1-3,6-10,13,18H,4-5,11-12,14,22H2,(H,23,26)