4-chloranyl-N-[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-nitro-N-prop-2-enyl-benzamide

Systemtic Name: 4-chloranyl-N-[1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-chloro-N-[1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-3-nitro-N-prop-2-enylbenzamide IUPAC Name: 4-chloro-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-chloro-N-[2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]-3-nitro-benzamide Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC=C)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CC=C)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN3O6/c1-3-10-23(20(27)13-4-9-16(22)17(11-13)25(29)30)18-12-19(26)24(21(18)28)14-5-7-15(31-2)8-6-14/h3-9,11,18H,1,10,12H2,2H3