2-azanyl-N-[(E)-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methylideneamino]benzamide

Systemtic Name: 2-azanyl-N-[(E)-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methylideneamino]benzamide Openeye Name: 2-amino-N-[(E)-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methyleneamino]benzamide CAS Name: 2-amino-N-[(E)-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-3-pyrrolyl]methylideneamino]benzamide IUPAC Name: 2-amino-N-[(E)-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylideneamino]benzamide Traditional Name: 2-amino-N-[(E)-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methyleneamino]benzamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=CC(=C2C)C=NNC(=O)C3=CC=CC=C3N)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=CC(=C2C)/C=N/NC(=O)C3=CC=CC=C3N)C

InChI

InChI=1S/C21H21N5O3/c1-13-8-9-17(26(28)29)11-20(13)25-14(2)10-16(15(25)3)12-23-24-21(27)18-6-4-5-7-19(18)22/h4-12H,22H2,1-3H3,(H,24,27)/b23-12+