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

Systemtic Name: 2-[7-imidazol-1-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]ethyl ethanoate hydrate Openeye Name: 2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl acetate hydrate CAS Name: acetic acid 2-[7-(1-imidazolyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]ethyl ester hydrate IUPAC Name: 2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl acetate hydrate Traditional Name: acetic acid 2-(7-imidazol-1-yl-2,3-diketo-6-nitro-4H-quinoxalin-1-yl)ethyl ester hydrate Formula: C15H15N5O7 MolecularWeight: 377.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.O

Isomeric SMILES

CC(=O)OCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.O

InChI

InChI=1S/C15H13N5O6.H2O/c1-9(21)26-5-4-19-11-7-12(18-3-2-16-8-18)13(20(24)25)6-10(11)17-14(22)15(19)23;/h2-3,6-8H,4-5H2,1H3,(H,17,22);1H2