4-methyl-2-[(3-nitro-5-pyrrol-1-yl-phenyl)amino]pentanoic acid

Systemtic Name: 4-methyl-2-[(3-nitro-5-pyrrol-1-yl-phenyl)amino]pentanoic acid Openeye Name: 4-methyl-2-(3-nitro-5-pyrrol-1-yl-anilino)pentanoic acid CAS Name: 4-methyl-2-[3-nitro-5-(1-pyrrolyl)anilino]pentanoic acid IUPAC Name: 4-methyl-2-(3-nitro-5-pyrrol-1-ylanilino)pentanoic acid Traditional Name: 4-methyl-2-(3-nitro-5-pyrrol-1-yl-anilino)valeric acid Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=CC(=CC(=C1)N2C=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=CC(=CC(=C1)N2C=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-11(2)7-15(16(20)21)17-12-8-13(18-5-3-4-6-18)10-14(9-12)19(22)23/h3-6,8-11,15,17H,7H2,1-2H3,(H,20,21)