methyl 3-[[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-methoxy-3-(2-oxo-1-pyrrolidinyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(2-ketopyrrolidino)-4-methoxy-phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)N3CCCC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)N3CCCC3=O

InChI

InChI=1S/C20H19N3O7/c1-29-17-6-5-14(11-16(17)22-7-3-4-18(22)24)21-19(25)12-8-13(20(26)30-2)10-15(9-12)23(27)28/h5-6,8-11H,3-4,7H2,1-2H3,(H,21,25)