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

Systemtic Name: 4-[[[2-azanyl-4-(3-nitrophenyl)imidazol-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[2-amino-4-(3-nitrophenyl)-1-imidazolyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[2-amino-4-(3-nitrophenyl)imidazol-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN(C(=N2)N)NC=C3C=CC(=O)C=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN(C(=N2)N)NC=C3C=CC(=O)C=C3

InChI

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