1-(2-methyl-5-nitro-phenyl)-3-[2-[(3-nitrophenyl)carbamoylamino]ethanoylamino]urea

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)-3-[2-[(3-nitrophenyl)carbamoylamino]ethanoylamino]urea Openeye Name: 1-(2-methyl-5-nitro-phenyl)-3-[[2-[(3-nitrophenyl)carbamoylamino]acetyl]amino]urea CAS Name: 1-[2-[[(2-methyl-5-nitroanilino)-oxomethyl]hydrazo]-2-oxoethyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-(2-methyl-5-nitrophenyl)-3-[[2-[(3-nitrophenyl)carbamoylamino]acetyl]amino]urea Traditional Name: 1-[2-keto-2-[N'-[(2-methyl-5-nitro-phenyl)carbamoyl]hydrazino]ethyl]-3-(3-nitrophenyl)urea Formula: C17H17N7O7 MolecularWeight: 431.35958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NNC(=O)CNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NNC(=O)CNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O7/c1-10-5-6-13(24(30)31)8-14(10)20-17(27)22-21-15(25)9-18-16(26)19-11-3-2-4-12(7-11)23(28)29/h2-8H,9H2,1H3,(H,21,25)(H2,18,19,26)(H2,20,22,27)