(2E)-2-[5-(2-chlorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-ylidene]ethanamide

Systemtic Name: (2E)-2-[5-(2-chlorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-ylidene]ethanamide Openeye Name: (2E)-2-[5-(2-chlorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-ylidene]acetamide CAS Name: (2E)-2-[5-(2-chlorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-ylidene]acetamide IUPAC Name: (2E)-2-[5-(2-chlorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-ylidene]acetamide Traditional Name: (2E)-2-[5-(2-chlorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-ylidene]acetamide Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

CN1/C(=C/C(=O)N)/CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C18H15ClN4O3/c1-22-12(9-17(20)24)10-21-18(13-4-2-3-5-15(13)19)14-8-11(23(25)26)6-7-16(14)22/h2-9H,10H2,1H3,(H2,20,24)/b12-9+