2-[4-azanyl-5-[6-azanyl-3-nitro-4-(2-phenoxyethanoyl)-2-pyrrolidin-2-ylcarbonyl-phenyl]-5-oxidanylidene-pentyl]guanidine

Systemtic Name: 2-[4-azanyl-5-[6-azanyl-3-nitro-4-(2-phenoxyethanoyl)-2-pyrrolidin-2-ylcarbonyl-phenyl]-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[4-amino-5-[6-amino-3-nitro-4-(2-phenoxyacetyl)-2-(pyrrolidine-2-carbonyl)phenyl]-5-oxo-pentyl]guanidine CAS Name: 2-[4-amino-5-[6-amino-3-nitro-4-(1-oxo-2-phenoxyethyl)-2-[oxo(2-pyrrolidinyl)methyl]phenyl]-5-oxopentyl]guanidine IUPAC Name: 2-[4-amino-5-[6-amino-3-nitro-4-(2-phenoxyacetyl)-2-(pyrrolidine-2-carbonyl)phenyl]-5-oxopentyl]guanidine Traditional Name: 2-[4-amino-5-[6-amino-3-nitro-4-(2-phenoxyacetyl)-2-prolyl-phenyl]-5-keto-pentyl]guanidine Formula: C25H31N7O6 MolecularWeight: 525.55694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C2=C(C(=CC(=C2C(=O)C(CCCN=C(N)N)N)N)C(=O)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(NC1)C(=O)C2=C(C(=CC(=C2C(=O)C(CCCN=C(N)N)N)N)C(=O)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H31N7O6/c26-16(8-4-11-31-25(28)29)23(34)20-17(27)12-15(19(33)13-38-14-6-2-1-3-7-14)22(32(36)37)21(20)24(35)18-9-5-10-30-18/h1-3,6-7,12,16,18,30H,4-5,8-11,13,26-27H2,(H4,28,29,31)