[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O7/c1-11(28-18(23)14-8-13(21(24)25)10-20(14)2)17(22)19-9-12-5-6-15(26-3)16(7-12)27-4/h5-8,10-11H,9H2,1-4H3,(H,19,22)