N-[(5-azanylidene-3-methyl-1-propyl-pyrazol-4-ylidene)amino]-2-bromanyl-5-nitro-aniline

Systemtic Name: N-[(5-azanylidene-3-methyl-1-propyl-pyrazol-4-ylidene)amino]-2-bromanyl-5-nitro-aniline Openeye Name: 2-bromo-N-[(5-imino-3-methyl-1-propyl-pyrazol-4-ylidene)amino]-5-nitro-aniline CAS Name: 2-bromo-N-[(5-imino-3-methyl-1-propyl-4-pyrazolylidene)amino]-5-nitroaniline IUPAC Name: 2-bromo-N-[(5-imino-3-methyl-1-propylpyrazol-4-ylidene)amino]-5-nitroaniline Traditional Name: (2-bromo-5-nitro-phenyl)-[(5-imino-3-methyl-1-propyl-2-pyrazolin-4-ylidene)amino]amine Formula: C13H15BrN6O2 MolecularWeight: 367.2012

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=N)C(=NNC2=C(C=CC(=C2)[N+](=O)[O-])Br)C(=N1)C

Isomeric SMILES

CCCN1C(=N)C(=NNC2=C(C=CC(=C2)[N+](=O)[O-])Br)C(=N1)C

InChI

InChI=1S/C13H15BrN6O2/c1-3-6-19-13(15)12(8(2)18-19)17-16-11-7-9(20(21)22)4-5-10(11)14/h4-5,7,15-16H,3,6H2,1-2H3