5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)-2-phenylazanyl-pentanamide hydrochloride

Systemtic Name: 5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)-2-phenylazanyl-pentanamide hydrochloride Openeye Name: 2-anilino-5-guanidino-N-(4-nitrophenyl)pentanamide hydrochloride CAS Name: 2-anilino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide hydrochloride IUPAC Name: 2-anilino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide hydrochloride Traditional Name: 2-anilino-5-guanidino-N-(4-nitrophenyl)valeramide hydrochloride Formula: C18H23ClN6O3 MolecularWeight: 406.86662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C18H22N6O3.ClH/c19-18(20)21-12-4-7-16(22-13-5-2-1-3-6-13)17(25)23-14-8-10-15(11-9-14)24(26)27;/h1-3,5-6,8-11,16,22H,4,7,12H2,(H,23,25)(H4,19,20,21);1H