N-[1-benzamido-4-[bis(azanyl)methylideneamino]butyl]-4-nitro-benzamide hydrochloride

Systemtic Name: N-[1-benzamido-4-[bis(azanyl)methylideneamino]butyl]-4-nitro-benzamide hydrochloride Openeye Name: N-(1-benzamido-4-guanidino-butyl)-4-nitro-benzamide hydrochloride CAS Name: N-[1-benzamido-4-(diaminomethylideneamino)butyl]-4-nitrobenzamide hydrochloride IUPAC Name: N-[1-benzamido-4-(diaminomethylideneamino)butyl]-4-nitrobenzamide hydrochloride Traditional Name: N-(1-benzamido-4-guanidino-butyl)-4-nitro-benzamide hydrochloride Formula: C19H23ClN6O4 MolecularWeight: 434.87672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C19H22N6O4.ClH/c20-19(21)22-12-4-7-16(23-17(26)13-5-2-1-3-6-13)24-18(27)14-8-10-15(11-9-14)25(28)29;/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,26)(H,24,27)(H4,20,21,22);1H