methyl 3-azanyl-4-cyano-5-(4-nitrophenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-cyano-5-(4-nitrophenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2-carboxylate Openeye Name: methyl 3-amino-4-cyano-1-(3-isopropoxypropyl)-5-(4-nitrophenyl)pyrrole-2-carboxylate CAS Name: 3-amino-4-cyano-5-(4-nitrophenyl)-1-(3-propan-2-yloxypropyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-cyano-5-(4-nitrophenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2-carboxylate Traditional Name: 3-amino-4-cyano-1-(3-isopropoxypropyl)-5-(4-nitrophenyl)pyrrole-2-carboxylic acid methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=C(C(=C1C(=O)OC)N)C#N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCN1C(=C(C(=C1C(=O)OC)N)C#N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5/c1-12(2)28-10-4-9-22-17(13-5-7-14(8-6-13)23(25)26)15(11-20)16(21)18(22)19(24)27-3/h5-8,12H,4,9-10,21H2,1-3H3