4-[[(E)-(5-nitro-2-oxidanylidene-1H-indol-3-ylidene)-phenyl-methyl]amino]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[[(E)-(5-nitro-2-oxidanylidene-1H-indol-3-ylidene)-phenyl-methyl]amino]benzenecarboximidamide hydrochloride Openeye Name: 4-[[(E)-(5-nitro-2-oxo-indolin-3-ylidene)-phenyl-methyl]amino]benzamidine hydrochloride CAS Name: 4-[[(E)-(5-nitro-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]benzenecarboximidamide hydrochloride IUPAC Name: 4-[[(E)-(5-nitro-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]benzenecarboximidamide hydrochloride Traditional Name: 4-[[(E)-(2-keto-5-nitro-indolin-3-ylidene)-phenyl-methyl]amino]benzamidine hydrochloride Formula: C22H18ClN5O3 MolecularWeight: 435.86302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)NC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\2/C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)/NC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C22H17N5O3.ClH/c23-21(24)14-6-8-15(9-7-14)25-20(13-4-2-1-3-5-13)19-17-12-16(27(29)30)10-11-18(17)26-22(19)28;/h1-12,25H,(H3,23,24)(H,26,28);1H/b20-19+;