dimethyl 2-azanyl-1-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3,4-dicarboxylate

Systemtic Name: dimethyl 2-azanyl-1-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3,4-dicarboxylate Openeye Name: dimethyl 2-amino-1-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3,4-dicarboxylate CAS Name: 2-amino-1-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-amino-1-cyano-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3,4-dicarboxylate Traditional Name: 2-amino-1-cyano-6,7,8,9-tetrahydro-5H-benzocycloheptene-3,4-dicarboxylic acid dimethyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCCCCC2=C(C(=C1C(=O)OC)N)C#N

Isomeric SMILES

COC(=O)C1=C2CCCCCC2=C(C(=C1C(=O)OC)N)C#N

InChI

InChI=1S/C16H18N2O4/c1-21-15(19)12-10-7-5-3-4-6-9(10)11(8-17)14(18)13(12)16(20)22-2/h3-7,18H2,1-2H3