ethyl 2-azanyl-1-(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3-keto-4H-1,4-benzoxazin-7-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C21H17N5O4 MolecularWeight: 403.39078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC5=C(C=C4)NC(=O)CO5)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC5=C(C=C4)NC(=O)CO5)N

InChI

InChI=1S/C21H17N5O4/c1-2-29-21(28)17-18-20(25-13-6-4-3-5-12(13)24-18)26(19(17)22)11-7-8-14-15(9-11)30-10-16(27)23-14/h3-9H,2,10,22H2,1H3,(H,23,27)