[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C14H18N2O6 MolecularWeight: 310.30252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C14H18N2O6/c1-3-4-5-14(18)22-9-13(17)15-11-7-6-10(16(19)20)8-12(11)21-2/h6-8H,3-5,9H2,1-2H3,(H,15,17)