N-[2-(2-azanylethylamino)ethyl]-4-nitro-N-(4-nitrophenyl)carbonyl-benzamide hydrochloride

Systemtic Name: N-[2-(2-azanylethylamino)ethyl]-4-nitro-N-(4-nitrophenyl)carbonyl-benzamide hydrochloride Openeye Name: N-[2-(2-aminoethylamino)ethyl]-4-nitro-N-(4-nitrobenzoyl)benzamide hydrochloride CAS Name: N-[2-(2-aminoethylamino)ethyl]-4-nitro-N-[(4-nitrophenyl)-oxomethyl]benzamide hydrochloride IUPAC Name: N-[2-(2-aminoethylamino)ethyl]-4-nitro-N-(4-nitrobenzoyl)benzamide hydrochloride Traditional Name: N-[2-(2-aminoethylamino)ethyl]-4-nitro-N-(4-nitrobenzoyl)benzamide hydrochloride Formula: C18H20ClN5O6 MolecularWeight: 437.8343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(CCNCCN)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)N(CCNCCN)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C18H19N5O6.ClH/c19-9-10-20-11-12-21(17(24)13-1-5-15(6-2-13)22(26)27)18(25)14-3-7-16(8-4-14)23(28)29;/h1-8,20H,9-12,19H2;1H