7-chloranyl-4-(4-methyl-3-nitro-phenyl)carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-4-(4-methyl-3-nitro-phenyl)carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-4-(4-methyl-3-nitro-benzoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-4-[(4-methyl-3-nitrophenyl)-oxomethyl]-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-4-(4-methyl-3-nitrobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-4-(4-methyl-3-nitro-benzoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4S/c1-12-4-5-13(9-17(12)25(28)29)21(27)24-11-19(26)23-16-7-6-14(22)10-15(16)20(24)18-3-2-8-30-18/h2-10,20H,11H2,1H3,(H,23,26)