dimethyl 2-[2,4-bis(oxidanylidene)-3,1-benzoxazin-1-yl]-3-(cyclohexyliminomethylidene)butanedioate

Systemtic Name: dimethyl 2-[2,4-bis(oxidanylidene)-3,1-benzoxazin-1-yl]-3-(cyclohexyliminomethylidene)butanedioate Openeye Name: dimethyl 2-(cyclohexyliminomethylene)-3-(2,4-dioxo-3,1-benzoxazin-1-yl)butanedioate CAS Name: 2-(cyclohexyliminomethylidene)-3-(2,4-dioxo-3,1-benzoxazin-1-yl)butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(cyclohexyliminomethylidene)-3-(2,4-dioxo-3,1-benzoxazin-1-yl)butanedioate Traditional Name: 2-(cyclohexyliminomethylene)-3-(2,4-diketo-3,1-benzoxazin-1-yl)succinic acid dimethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=C=NC1CCCCC1)C(=O)OC)N2C3=CC=CC=C3C(=O)OC2=O

Isomeric SMILES

COC(=O)C(C(=C=NC1CCCCC1)C(=O)OC)N2C3=CC=CC=C3C(=O)OC2=O

InChI

InChI=1S/C21H22N2O7/c1-28-18(24)15(12-22-13-8-4-3-5-9-13)17(20(26)29-2)23-16-11-7-6-10-14(16)19(25)30-21(23)27/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3