2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-nitro-benzoic acid Openeye Name: 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-nitro-benzoic acid CAS Name: 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-nitrobenzoic acid Traditional Name: 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-nitro-benzoic acid Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H17N3O5/c1-26-13-3-5-16-14(9-13)11(10-20-16)6-7-19-17-4-2-12(21(24)25)8-15(17)18(22)23/h2-5,8-10,19-20H,6-7H2,1H3,(H,22,23)