ethyl 2-[2-isocyanatoethanoyl-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: ethyl 2-[2-isocyanatoethanoyl-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: ethyl 2-[(2-isocyanatoacetyl)-[2-(N-methylanilino)-2-oxo-ethyl]amino]benzoate CAS Name: 2-[(2-isocyanato-1-oxoethyl)-[2-(N-methylanilino)-2-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-isocyanatoacetyl)-[2-(N-methylanilino)-2-oxoethyl]amino]benzoate Traditional Name: 2-[(2-isocyanatoacetyl)-[2-keto-2-(N-methylanilino)ethyl]amino]benzoic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N(CC(=O)N(C)C2=CC=CC=C2)C(=O)CN=C=O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N(CC(=O)N(C)C2=CC=CC=C2)C(=O)CN=C=O

InChI

InChI=1S/C21H21N3O5/c1-3-29-21(28)17-11-7-8-12-18(17)24(19(26)13-22-15-25)14-20(27)23(2)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3