diethyl 2-azanyl-6-ethynyl-azulene-1,3-dicarboxylate

Systemtic Name: diethyl 2-azanyl-6-ethynyl-azulene-1,3-dicarboxylate Openeye Name: diethyl 2-amino-6-ethynyl-azulene-1,3-dicarboxylate CAS Name: 2-amino-6-ethynylazulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-amino-6-ethynylazulene-1,3-dicarboxylate Traditional Name: 2-amino-6-ethynyl-azulene-1,3-dicarboxylic acid diethyl ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)C#C

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)C#C

InChI

InChI=1S/C18H17NO4/c1-4-11-7-9-12-13(10-8-11)15(18(21)23-6-3)16(19)14(12)17(20)22-5-2/h1,7-10H,5-6,19H2,2-3H3