methyl 3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-(2-methyl-5-nitro-anilino)-3-oxo-propanoate CAS Name: 3-(2-methyl-5-nitroanilino)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(2-methyl-5-nitroanilino)-3-oxopropanoate Traditional Name: 3-keto-3-(2-methyl-5-nitro-anilino)propionic acid methyl ester Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(=O)OC

InChI

InChI=1S/C11H12N2O5/c1-7-3-4-8(13(16)17)5-9(7)12-10(14)6-11(15)18-2/h3-5H,6H2,1-2H3,(H,12,14)