diethyl 2-azanyl-6-[2-(ethoxymethoxyamino)-2-oxidanylidene-ethyl]azulene-1,3-dicarboxylate

Systemtic Name: diethyl 2-azanyl-6-[2-(ethoxymethoxyamino)-2-oxidanylidene-ethyl]azulene-1,3-dicarboxylate Openeye Name: diethyl 2-amino-6-[2-(ethoxymethoxyamino)-2-oxo-ethyl]azulene-1,3-dicarboxylate CAS Name: 2-amino-6-[2-(ethoxymethoxyamino)-2-oxoethyl]azulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-amino-6-[2-(ethoxymethoxyamino)-2-oxoethyl]azulene-1,3-dicarboxylate Traditional Name: 2-amino-6-[2-(ethoxymethoxyamino)-2-keto-ethyl]azulene-1,3-dicarboxylic acid diethyl ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCOCONC(=O)CC1=CC=C2C(=C(C(=C2C(=O)OCC)N)C(=O)OCC)C=C1

Isomeric SMILES

CCOCONC(=O)CC1=CC=C2C(=C(C(=C2C(=O)OCC)N)C(=O)OCC)C=C1

InChI

InChI=1S/C21H26N2O7/c1-4-27-12-30-23-16(24)11-13-7-9-14-15(10-8-13)18(21(26)29-6-3)19(22)17(14)20(25)28-5-2/h7-10H,4-6,11-12,22H2,1-3H3,(H,23,24)