1,5-dimethyl-4-[(E)-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]pyrrole-2-carbonitrile

Systemtic Name: 1,5-dimethyl-4-[(E)-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]pyrrole-2-carbonitrile Openeye Name: 1,5-dimethyl-4-[(E)-3-(3-nitrophenyl)-3-oxo-prop-1-enyl]pyrrole-2-carbonitrile CAS Name: 1,5-dimethyl-4-[(E)-3-(3-nitrophenyl)-3-oxoprop-1-enyl]-2-pyrrolecarbonitrile IUPAC Name: 1,5-dimethyl-4-[(E)-3-(3-nitrophenyl)-3-oxoprop-1-enyl]pyrrole-2-carbonitrile Traditional Name: 4-[(E)-3-keto-3-(3-nitrophenyl)prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C/C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3/c1-11-12(8-15(10-17)18(11)2)6-7-16(20)13-4-3-5-14(9-13)19(21)22/h3-9H,1-2H3/b7-6+