[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C15H20N2O5 MolecularWeight: 308.3297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=C(C=CC(=C1C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=C(C=CC(=C1C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5/c1-4-5-6-14(19)22-9-13(18)16-15-11(3)10(2)7-8-12(15)17(20)21/h7-8H,4-6,9H2,1-3H3,(H,16,18)