ethyl N-[(E)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]carbamate; 1H-indole-2,3-dione

Systemtic Name: ethyl N-[(E)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]carbamate; 1H-indole-2,3-dione Openeye Name: ethyl N-[(E)-(1-methyl-2-oxo-indolin-3-ylidene)amino]carbamate; indoline-2,3-dione CAS Name: 1H-indole-2,3-dione; N-[(E)-(1-methyl-2-oxo-3-indolylidene)amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]carbamate; 1H-indole-2,3-dione Traditional Name: isatin; N-[(E)-(2-keto-1-methyl-indolin-3-ylidene)amino]carbamic acid ethyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN=C1C2=CC=CC=C2N(C1=O)C.C1=CC=C2C(=C1)C(=O)C(=O)N2

Isomeric SMILES

CCOC(=O)N/N=C/1\C2=CC=CC=C2N(C1=O)C.C1=CC=C2C(=C1)C(=O)C(=O)N2

InChI

InChI=1S/C12H13N3O3.C8H5NO2/c1-3-18-12(17)14-13-10-8-6-4-5-7-9(8)15(2)11(10)16;10-7-5-3-1-2-4-6(5)9-8(7)11/h4-7H,3H2,1-2H3,(H,14,17);1-4H,(H,9,10,11)/b13-10+;