(4Z)-4-[[[2-azanyl-4-(3-nitrophenyl)imidazol-1-yl]amino]methylidene]-2-bromanyl-6-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[[[2-azanyl-4-(3-nitrophenyl)imidazol-1-yl]amino]methylidene]-2-bromanyl-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylene]-2-bromo-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[[[2-amino-4-(3-nitrophenyl)-1-imidazolyl]amino]methylidene]-2-bromo-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylidene]-2-bromo-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylene]-2-bromo-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C17H14BrN5O4 MolecularWeight: 432.22816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C=C(N=C2N)C3=CC(=CC=C3)[N+](=O)[O-])C=C(C1=O)Br

Isomeric SMILES

COC1=C/C(=C/NN2C=C(N=C2N)C3=CC(=CC=C3)[N+](=O)[O-])/C=C(C1=O)Br

InChI

InChI=1S/C17H14BrN5O4/c1-27-15-6-10(5-13(18)16(15)24)8-20-22-9-14(21-17(22)19)11-3-2-4-12(7-11)23(25)26/h2-9,20H,1H3,(H2,19,21)/b10-8+