N-[2-[[4-[(3-cyanophenyl)carbamoyl]-2-nitro-phenyl]amino]ethyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[[4-[(3-cyanophenyl)carbamoyl]-2-nitro-phenyl]amino]ethyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[4-[(3-cyanophenyl)carbamoyl]-2-nitro-anilino]ethyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[4-[(3-cyanoanilino)-oxomethyl]-2-nitroanilino]ethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[4-[(3-cyanophenyl)carbamoyl]-2-nitroanilino]ethyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[4-[(3-cyanophenyl)carbamoyl]-2-nitro-anilino]ethyl]-1-methyl-pyrrole-2-carboxamide Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NCCNC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C(=O)NCCNC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O4/c1-27-11-3-6-19(27)22(30)25-10-9-24-18-8-7-16(13-20(18)28(31)32)21(29)26-17-5-2-4-15(12-17)14-23/h2-8,11-13,24H,9-10H2,1H3,(H,25,30)(H,26,29)