5-nitro-3-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-nitro-3-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[(4-hydroxy-4-oxo-butanoyl)amino]ethyl]-5-nitro-1H-indole-2-carboxylic acid CAS Name: 3-[2-[(4-hydroxy-1,4-dioxobutyl)amino]ethyl]-5-nitro-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[(4-hydroxy-4-oxobutanoyl)amino]ethyl]-5-nitro-1H-indole-2-carboxylic acid Traditional Name: 3-[2-[(4-hydroxy-4-keto-butanoyl)amino]ethyl]-5-nitro-1H-indole-2-carboxylic acid Formula: C15H15N3O7 MolecularWeight: 349.2955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)C(=O)O)CCNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)C(=O)O)CCNC(=O)CCC(=O)O

InChI

InChI=1S/C15H15N3O7/c19-12(3-4-13(20)21)16-6-5-9-10-7-8(18(24)25)1-2-11(10)17-14(9)15(22)23/h1-2,7,17H,3-6H2,(H,16,19)(H,20,21)(H,22,23)