ethyl 2-[7-(3-aminocarbonylpyrrol-1-yl)-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]ethanoate

Systemtic Name: ethyl 2-[7-(3-aminocarbonylpyrrol-1-yl)-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]ethanoate Openeye Name: ethyl 2-[7-(3-carbamoylpyrrol-1-yl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]acetate CAS Name: 2-[7-(3-carbamoyl-1-pyrrolyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(3-carbamoylpyrrol-1-yl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]acetate Traditional Name: 2-[7-(3-carbamoylpyrrol-1-yl)-2,3-diketo-6-nitro-4H-quinoxalin-1-yl]acetic acid ethyl ester Formula: C17H15N5O7 MolecularWeight: 401.3303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CC(=C3)C(=O)N

Isomeric SMILES

CCOC(=O)CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CC(=C3)C(=O)N

InChI

InChI=1S/C17H15N5O7/c1-2-29-14(23)8-21-11-6-12(20-4-3-9(7-20)15(18)24)13(22(27)28)5-10(11)19-16(25)17(21)26/h3-7H,2,8H2,1H3,(H2,18,24)(H,19,25)