3-[[(E)-1-[(2-methyl-1-benzofuran-6-yl)amino]-2-nitro-ethenyl]amino]-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-2-one

Systemtic Name: 3-[[(E)-1-[(2-methyl-1-benzofuran-6-yl)amino]-2-nitro-ethenyl]amino]-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-2-one Openeye Name: 3-[[(E)-1-[(2-methylbenzofuran-6-yl)amino]-2-nitro-vinyl]amino]-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-2-one CAS Name: 3-[[(E)-1-[(2-methyl-6-benzofuranyl)amino]-2-nitroethenyl]amino]-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-azepanone IUPAC Name: 3-[[(E)-1-[(2-methyl-1-benzofuran-6-yl)amino]-2-nitroethenyl]amino]-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one Traditional Name: 1-(2-keto-2-pyrrolidino-ethyl)-3-[[(E)-1-[(2-methylbenzofuran-6-yl)amino]-2-nitro-vinyl]amino]azepan-2-one Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=C(C=C2)NC(=C[N+](=O)[O-])NC3CCCCN(C3=O)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=C(O1)C=C(C=C2)N/C(=C/[N+](=O)[O-])/NC3CCCCN(C3=O)CC(=O)N4CCCC4

InChI

InChI=1S/C23H29N5O5/c1-16-12-17-7-8-18(13-20(17)33-16)24-21(14-28(31)32)25-19-6-2-3-11-27(23(19)30)15-22(29)26-9-4-5-10-26/h7-8,12-14,19,24-25H,2-6,9-11,15H2,1H3/b21-14-