N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-methyl-3-nitro-benzamide Openeye Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-methyl-3-nitro-benzamide CAS Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methyl-3-nitrobenzamide Traditional Name: N-[(E)-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-methyl-3-nitro-benzamide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NN=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N/N=C/C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrN4O3/c1-13-4-5-16(11-20(13)26(28)29)21(27)24-23-12-17-10-14(2)25(15(17)3)19-8-6-18(22)7-9-19/h4-12H,1-3H3,(H,24,27)/b23-12+