2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-7-nitro-1-(phenylmethyl)indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-7-nitro-1-(phenylmethyl)indol-4-yl]oxyethanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-7-nitro-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-2-methyl-7-nitro-1-(phenylmethyl)-4-indolyl]oxy]acetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methyl-7-nitroindol-4-yl]oxyacetic acid Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-7-nitro-indol-4-yl]oxyacetic acid Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2N1CC3=CC=CC=C3)[N+](=O)[O-])OCC(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2N1CC3=CC=CC=C3)[N+](=O)[O-])OCC(=O)O)CC(=O)N

InChI

InChI=1S/C20H19N3O6/c1-12-14(9-17(21)24)19-16(29-11-18(25)26)8-7-15(23(27)28)20(19)22(12)10-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3,(H2,21,24)(H,25,26)