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

Systemtic Name: methyl 3-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(3-methoxy-3-oxo-propyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3-methoxy-3-oxopropyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3-methoxy-3-oxopropyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3-keto-3-methoxy-propyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O7/c1-21-11(16)3-4-14-12(17)8-5-9(13(18)22-2)7-10(6-8)15(19)20/h5-7H,3-4H2,1-2H3,(H,14,17)