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

Systemtic Name: 2-[(E)-3-[1-[2-(2-methylpropanoyl)phenyl]-5-nitro-pyrrol-2-yl]propylideneamino]guanidine Openeye Name: 2-[(E)-3-[1-[2-(2-methylpropanoyl)phenyl]-5-nitro-pyrrol-2-yl]propylideneamino]guanidine CAS Name: 2-[(E)-3-[1-[2-(2-methyl-1-oxopropyl)phenyl]-5-nitro-2-pyrrolyl]propylideneamino]guanidine IUPAC Name: 2-[(E)-3-[1-[2-(2-methylpropanoyl)phenyl]-5-nitropyrrol-2-yl]propylideneamino]guanidine Traditional Name: 2-[(E)-3-[1-(2-isobutyrylphenyl)-5-nitro-pyrrol-2-yl]propylideneamino]guanidine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC=CC=C1N2C(=CC=C2[N+](=O)[O-])CCC=NN=C(N)N

Isomeric SMILES

CC(C)C(=O)C1=CC=CC=C1N2C(=CC=C2[N+](=O)[O-])CC/C=N/N=C(N)N

InChI

InChI=1S/C18H22N6O3/c1-12(2)17(25)14-7-3-4-8-15(14)23-13(9-10-16(23)24(26)27)6-5-11-21-22-18(19)20/h3-4,7-12H,5-6H2,1-2H3,(H4,19,20,22)/b21-11+