methyl 3-[(4-methoxy-4-oxidanylidene-butyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-methoxy-4-oxidanylidene-butyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-methoxy-4-oxo-butyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-methoxy-4-oxobutyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-methoxy-4-oxobutyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-keto-4-methoxy-butyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H16N2O7/c1-22-12(17)4-3-5-15-13(18)9-6-10(14(19)23-2)8-11(7-9)16(20)21/h6-8H,3-5H2,1-2H3,(H,15,18)