3-(2-ethoxycarbonyl-5-nitro-1H-indol-3-yl)propanoate

Systemtic Name: 3-(2-ethoxycarbonyl-5-nitro-1H-indol-3-yl)propanoate Openeye Name: 3-(2-ethoxycarbonyl-5-nitro-1H-indol-3-yl)propanoate CAS Name: 3-(2-ethoxycarbonyl-5-nitro-1H-indol-3-yl)propanoate IUPAC Name: 3-(2-ethoxycarbonyl-5-nitro-1H-indol-3-yl)propanoate Traditional Name: 3-(2-carbethoxy-5-nitro-1H-indol-3-yl)propionate Formula: C14H13N2O6- MolecularWeight: 305.26282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C14H14N2O6/c1-2-22-14(19)13-9(4-6-12(17)18)10-7-8(16(20)21)3-5-11(10)15-13/h3,5,7,15H,2,4,6H2,1H3,(H,17,18)/p-1