methyl 3-[[4-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-[(2-methoxy-2-oxo-ethyl)carbamoyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[(2-keto-2-methoxy-ethyl)carbamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H17N3O8 MolecularWeight: 415.35358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H17N3O8/c1-29-16(23)10-20-17(24)11-3-5-14(6-4-11)21-18(25)12-7-13(19(26)30-2)9-15(8-12)22(27)28/h3-9H,10H2,1-2H3,(H,20,24)(H,21,25)