4-azanyl-5-ethanoyl-1-(3-nitrophenyl)pyrrole-3-carbonitrile

Systemtic Name: 4-azanyl-5-ethanoyl-1-(3-nitrophenyl)pyrrole-3-carbonitrile Openeye Name: 5-acetyl-4-amino-1-(3-nitrophenyl)pyrrole-3-carbonitrile CAS Name: 5-acetyl-4-amino-1-(3-nitrophenyl)-3-pyrrolecarbonitrile IUPAC Name: 5-acetyl-4-amino-1-(3-nitrophenyl)pyrrole-3-carbonitrile Traditional Name: 5-acetyl-4-amino-1-(3-nitrophenyl)pyrrole-3-carbonitrile Formula: C13H10N4O3 MolecularWeight: 270.2435

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CN1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N

Isomeric SMILES

CC(=O)C1=C(C(=CN1C2=CC(=CC=C2)[N+](=O)[O-])C#N)N

InChI

InChI=1S/C13H10N4O3/c1-8(18)13-12(15)9(6-14)7-16(13)10-3-2-4-11(5-10)17(19)20/h2-5,7H,15H2,1H3