7-bromanyl-5-(2-chlorophenyl)-3-[(3-nitrophenyl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-5-(2-chlorophenyl)-3-[(3-nitrophenyl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-5-(2-chlorophenyl)-3-(3-nitroanilino)-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-bromo-5-(2-chlorophenyl)-3-(3-nitroanilino)-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-5-(2-chlorophenyl)-3-(3-nitroanilino)-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-5-(2-chlorophenyl)-3-(3-nitroanilino)-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C21H14BrClN4O3 MolecularWeight: 485.71786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)NC4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)NC4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H14BrClN4O3/c22-12-8-9-18-16(10-12)19(15-6-1-2-7-17(15)23)26-20(21(28)25-18)24-13-4-3-5-14(11-13)27(29)30/h1-11,20,24H,(H,25,28)