[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] pentanoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] pentanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] pentanoate Traditional Name: valeric acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6/c1-4-5-6-14(18)23-10(2)15(19)16-12-9-11(17(20)21)7-8-13(12)22-3/h7-10H,4-6H2,1-3H3,(H,16,19)