tert-butyl 2-[3-[1-(3-azanylpropyl)-5-phenylmethoxy-indol-3-yl]-7-nitro-2-oxidanylidene-quinoxalin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[1-(3-azanylpropyl)-5-phenylmethoxy-indol-3-yl]-7-nitro-2-oxidanylidene-quinoxalin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[1-(3-aminopropyl)-5-benzyloxy-indol-3-yl]-7-nitro-2-oxo-quinoxalin-1-yl]acetate CAS Name: 2-[3-[1-(3-aminopropyl)-5-phenylmethoxy-3-indolyl]-7-nitro-2-oxo-1-quinoxalinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[1-(3-aminopropyl)-5-phenylmethoxyindol-3-yl]-7-nitro-2-oxoquinoxalin-1-yl]acetate Traditional Name: 2-[3-[1-(3-aminopropyl)-5-benzoxy-indol-3-yl]-2-keto-7-nitro-quinoxalin-1-yl]acetic acid tert-butyl ester Formula: C32H33N5O6 MolecularWeight: 583.63432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])N=C(C1=O)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCCN

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])N=C(C1=O)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCCN

InChI

InChI=1S/C32H33N5O6/c1-32(2,3)43-29(38)19-36-28-16-22(37(40)41)10-12-26(28)34-30(31(36)39)25-18-35(15-7-14-33)27-13-11-23(17-24(25)27)42-20-21-8-5-4-6-9-21/h4-6,8-13,16-18H,7,14-15,19-20,33H2,1-3H3