3-ethoxy-6-nitro-7-[3-[(phenylcarbamoylamino)methyl]pyrrolidin-1-yl]quinoxaline-2-carboxylate

Systemtic Name: 3-ethoxy-6-nitro-7-[3-[(phenylcarbamoylamino)methyl]pyrrolidin-1-yl]quinoxaline-2-carboxylate Openeye Name: 3-ethoxy-6-nitro-7-[3-[(phenylcarbamoylamino)methyl]pyrrolidin-1-yl]quinoxaline-2-carboxylate CAS Name: 7-[3-[[[anilino(oxo)methyl]amino]methyl]-1-pyrrolidinyl]-3-ethoxy-6-nitro-2-quinoxalinecarboxylate IUPAC Name: 3-ethoxy-6-nitro-7-[3-[(phenylcarbamoylamino)methyl]pyrrolidin-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-ethoxy-6-nitro-7-[3-[(phenylcarbamoylamino)methyl]pyrrolidino]quinoxaline-2-carboxylate Formula: C23H23N6O6- MolecularWeight: 479.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=CC(=C(C=C2N=C1C(=O)[O-])N3CCC(C3)CNC(=O)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NC2=CC(=C(C=C2N=C1C(=O)[O-])N3CCC(C3)CNC(=O)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O6/c1-2-35-21-20(22(30)31)26-16-10-18(19(29(33)34)11-17(16)27-21)28-9-8-14(13-28)12-24-23(32)25-15-6-4-3-5-7-15/h3-7,10-11,14H,2,8-9,12-13H2,1H3,(H,30,31)(H2,24,25,32)/p-1