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

Systemtic Name: (6E)-6-[[[2-azanyl-4-(3-nitrophenyl)imidazol-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[[2-amino-4-(3-nitrophenyl)-1-imidazolyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O3/c17-16-19-14(11-5-3-6-13(8-11)21(23)24)10-20(16)18-9-12-4-1-2-7-15(12)22/h1-10,18H,(H2,17,19)/b12-9+