2-[(E)-3-[1-[2-(2-methylpropyl)phenyl]-5-nitro-pyrrol-2-yl]propylideneamino]guanidine

Systemtic Name: 2-[(E)-3-[1-[2-(2-methylpropyl)phenyl]-5-nitro-pyrrol-2-yl]propylideneamino]guanidine Openeye Name: 2-[(E)-3-[1-(2-isobutylphenyl)-5-nitro-pyrrol-2-yl]propylideneamino]guanidine CAS Name: 2-[(E)-3-[1-[2-(2-methylpropyl)phenyl]-5-nitro-2-pyrrolyl]propylideneamino]guanidine IUPAC Name: 2-[(E)-3-[1-[2-(2-methylpropyl)phenyl]-5-nitropyrrol-2-yl]propylideneamino]guanidine Traditional Name: 2-[(E)-3-[1-(2-isobutylphenyl)-5-nitro-pyrrol-2-yl]propylideneamino]guanidine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=CC=C1N2C(=CC=C2[N+](=O)[O-])CCC=NN=C(N)N

Isomeric SMILES

CC(C)CC1=CC=CC=C1N2C(=CC=C2[N+](=O)[O-])CC/C=N/N=C(N)N

InChI

InChI=1S/C18H24N6O2/c1-13(2)12-14-6-3-4-8-16(14)23-15(9-10-17(23)24(25)26)7-5-11-21-22-18(19)20/h3-4,6,8-11,13H,5,7,12H2,1-2H3,(H4,19,20,22)/b21-11+