N-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[[5-(4-bromophenyl)-2-furyl]methylamino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[[5-(4-bromophenyl)-2-furanyl]methylamino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[[5-(4-bromophenyl)-2-furyl]methylamino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C21H18BrN3O5 MolecularWeight: 472.28872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=CC=C(O2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H18BrN3O5/c1-13-2-3-15(10-18(13)25(28)29)21(27)24-12-20(26)23-11-17-8-9-19(30-17)14-4-6-16(22)7-5-14/h2-10H,11-12H2,1H3,(H,23,26)(H,24,27)