4-[[(E)-(3-iodanyl-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[(E)-(3-iodanyl-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(E)-(3-iodo-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(E)-(3-iodo-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(E)-(3-iodo-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[(E)-(3-iodo-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C18H15IN4O4 MolecularWeight: 478.24057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C=C(C(=O)C(=C3)I)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C/3\C=C(C(=O)C(=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C18H15IN4O4/c1-11-16(18(25)22(21(11)2)13-6-4-3-5-7-13)20-10-12-8-14(19)17(24)15(9-12)23(26)27/h3-10,20H,1-2H3/b12-10-