methyl 4-(4-azanyl-3-nitro-phenyl)-1-butyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-(4-azanyl-3-nitro-phenyl)-1-butyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 4-(4-amino-3-nitro-phenyl)-1-butyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(4-amino-3-nitrophenyl)-1-butyl-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-amino-3-nitrophenyl)-1-butyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-(4-amino-3-nitro-phenyl)-1-butyl-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1C)C(=O)OC)C2=CC(=C(C=C2)N)[N+](=O)[O-])C

Isomeric SMILES

CCCCN1C(=C(C(=C1C)C(=O)OC)C2=CC(=C(C=C2)N)[N+](=O)[O-])C

InChI

InChI=1S/C18H23N3O4/c1-5-6-9-20-11(2)16(17(12(20)3)18(22)25-4)13-7-8-14(19)15(10-13)21(23)24/h7-8,10H,5-6,9,19H2,1-4H3