ethyl (2S,3R)-4-acridin-9-yl-3-(1-ethanoylindol-3-yl)-2-nitro-butanoate

Systemtic Name: ethyl (2S,3R)-4-acridin-9-yl-3-(1-ethanoylindol-3-yl)-2-nitro-butanoate Openeye Name: ethyl (2S,3R)-3-(1-acetylindol-3-yl)-4-acridin-9-yl-2-nitro-butanoate CAS Name: (2S,3R)-3-(1-acetyl-3-indolyl)-4-(9-acridinyl)-2-nitrobutanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-(1-acetylindol-3-yl)-4-acridin-9-yl-2-nitrobutanoate Traditional Name: (2S,3R)-3-(1-acetylindol-3-yl)-4-acridin-9-yl-2-nitro-butyric acid ethyl ester Formula: C29H25N3O5 MolecularWeight: 495.5259

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC1=C2C=CC=CC2=NC3=CC=CC=C31)C4=CN(C5=CC=CC=C54)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]([C@H](CC1=C2C=CC=CC2=NC3=CC=CC=C31)C4=CN(C5=CC=CC=C54)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C29H25N3O5/c1-3-37-29(34)28(32(35)36)23(24-17-31(18(2)33)27-15-9-6-12-21(24)27)16-22-19-10-4-7-13-25(19)30-26-14-8-5-11-20(22)26/h4-15,17,23,28H,3,16H2,1-2H3/t23-,28+/m1/s1