(6E)-6-[[[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[[4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H13BrN4O3 MolecularWeight: 401.21412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)NC=C2C=C(C=CC2=O)[N+](=O)[O-])C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C(=NN1)N/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H13BrN4O3/c1-10-16(11-3-2-4-13(18)7-11)17(21-20-10)19-9-12-8-14(22(24)25)5-6-15(12)23/h2-9H,1H3,(H2,19,20,21)/b12-9+