3-(3-nitrophenyl)-1-[2-[(3-nitrophenyl)carbamoyl-nitroso-amino]ethyl]-1-nitroso-urea

Systemtic Name: 3-(3-nitrophenyl)-1-[2-[(3-nitrophenyl)carbamoyl-nitroso-amino]ethyl]-1-nitroso-urea Openeye Name: 3-(3-nitrophenyl)-1-[2-[(3-nitrophenyl)carbamoyl-nitroso-amino]ethyl]-1-nitroso-urea CAS Name: 1-[2-[[(3-nitroanilino)-oxomethyl]-nitrosoamino]ethyl]-3-(3-nitrophenyl)-1-nitrosourea IUPAC Name: 3-(3-nitrophenyl)-1-[2-[(3-nitrophenyl)carbamoyl-nitrosoamino]ethyl]-1-nitrosourea Traditional Name: 3-(3-nitrophenyl)-1-[2-[(3-nitrophenyl)carbamoyl-nitroso-amino]ethyl]-1-nitroso-urea Formula: C16H14N8O8 MolecularWeight: 446.33116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)N(CCN(C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])N=O)N=O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)N(CCN(C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])N=O)N=O

InChI

InChI=1S/C16H14N8O8/c25-15(17-11-3-1-5-13(9-11)23(29)30)21(19-27)7-8-22(20-28)16(26)18-12-4-2-6-14(10-12)24(31)32/h1-6,9-10H,7-8H2,(H,17,25)(H,18,26)