N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C18H18BrN3O7 MolecularWeight: 468.25542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC(=O)NC2=CC=CC=C2Br)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCC(=O)NC2=CC=CC=C2Br)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H18BrN3O7/c1-27-13-8-10(15(22(25)26)17(29-3)16(13)28-2)18(24)20-9-14(23)21-12-7-5-4-6-11(12)19/h4-8H,9H2,1-3H3,(H,20,24)(H,21,23)