ethyl 3-azanyl-4-cyano-5-(3-methylquinoxalin-2-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-cyano-5-(3-methylquinoxalin-2-yl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-amino-4-cyano-5-(3-methylquinoxalin-2-yl)-1H-pyrrole-2-carboxylate CAS Name: 3-amino-4-cyano-5-(3-methyl-2-quinoxalinyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-cyano-5-(3-methylquinoxalin-2-yl)-1H-pyrrole-2-carboxylate Traditional Name: 3-amino-4-cyano-5-(3-methylquinoxalin-2-yl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C2=NC3=CC=CC=C3N=C2C)C#N)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C2=NC3=CC=CC=C3N=C2C)C#N)N

InChI

InChI=1S/C17H15N5O2/c1-3-24-17(23)16-13(19)10(8-18)15(22-16)14-9(2)20-11-6-4-5-7-12(11)21-14/h4-7,22H,3,19H2,1-2H3