6-azanyl-4-cyclopenta-2,4-dien-1-yl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile; cyclopenta-1,3-diene; iron

Systemtic Name: 6-azanyl-4-cyclopenta-2,4-dien-1-yl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile; cyclopenta-1,3-diene; iron Openeye Name: 6-amino-4-cyclopenta-2,4-dien-1-yl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile; cyclopenta-1,3-diene; iron CAS Name: 6-amino-4-(1-cyclopenta-2,4-dienyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile; cyclopenta-1,3-diene; iron IUPAC Name: 6-amino-4-cyclopenta-2,4-dien-1-yl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile; cyclopenta-1,3-diene; iron Traditional Name: 6-amino-4-cyclopenta-2,4-dien-1-yl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile; cyclopenta-1,3-diene; iron Formula: C18H16FeN4O-2 MolecularWeight: 360.19084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(OC2=NN1)N)C#N)[C-]3C=CC=C3.[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

CC1=C2C(C(=C(OC2=NN1)N)C#N)[C-]3C=CC=C3.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C13H11N4O.C5H5.Fe/c1-7-10-11(8-4-2-3-5-8)9(6-14)12(15)18-13(10)17-16-7;1-2-4-5-3-1;/h2-5,11H,15H2,1H3,(H,16,17);1-5H;/q2*-1;