1-[4-bromanyl-2-methyl-3-[(3-nitrophenyl)carbamoylamino]phenyl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[4-bromanyl-2-methyl-3-[(3-nitrophenyl)carbamoylamino]phenyl]-3-(3-nitrophenyl)urea Openeye Name: 1-[4-bromo-2-methyl-3-[(3-nitrophenyl)carbamoylamino]phenyl]-3-(3-nitrophenyl)urea CAS Name: 1-[4-bromo-2-methyl-3-[[(3-nitroanilino)-oxomethyl]amino]phenyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[4-bromo-2-methyl-3-[(3-nitrophenyl)carbamoylamino]phenyl]-3-(3-nitrophenyl)urea Traditional Name: 1-[4-bromo-2-methyl-3-[(3-nitrophenyl)carbamoylamino]phenyl]-3-(3-nitrophenyl)urea Formula: C21H17BrN6O6 MolecularWeight: 529.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Br)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Br)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17BrN6O6/c1-12-18(25-20(29)23-13-4-2-6-15(10-13)27(31)32)9-8-17(22)19(12)26-21(30)24-14-5-3-7-16(11-14)28(33)34/h2-11H,1H3,(H2,23,25,29)(H2,24,26,30)