4-[2-azanyl-1-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[2-azanyl-1-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-methoxy-benzoic acid Openeye Name: 4-[2-amino-1-(5-nitro-1H-indol-3-yl)-2-oxo-ethyl]-3-methoxy-benzoic acid CAS Name: 4-[2-amino-1-(5-nitro-1H-indol-3-yl)-2-oxoethyl]-3-methoxybenzoic acid IUPAC Name: 4-[2-amino-1-(5-nitro-1H-indol-3-yl)-2-oxoethyl]-3-methoxybenzoic acid Traditional Name: 4-[2-amino-2-keto-1-(5-nitro-1H-indol-3-yl)ethyl]-3-methoxy-benzoic acid Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C(C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C(C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C18H15N3O6/c1-27-15-6-9(18(23)24)2-4-11(15)16(17(19)22)13-8-20-14-5-3-10(21(25)26)7-12(13)14/h2-8,16,20H,1H3,(H2,19,22)(H,23,24)