7-methoxy-3-methyl-5-[methylsulfonyl(prop-2-enyl)amino]-4-nitro-1H-indole-2-carboxylic acid

Systemtic Name: 7-methoxy-3-methyl-5-[methylsulfonyl(prop-2-enyl)amino]-4-nitro-1H-indole-2-carboxylic acid Openeye Name: 5-[allyl(methylsulfonyl)amino]-7-methoxy-3-methyl-4-nitro-1H-indole-2-carboxylic acid CAS Name: 7-methoxy-3-methyl-5-[methylsulfonyl(prop-2-enyl)amino]-4-nitro-1H-indole-2-carboxylic acid IUPAC Name: 7-methoxy-3-methyl-5-[methylsulfonyl(prop-2-enyl)amino]-4-nitro-1H-indole-2-carboxylic acid Traditional Name: 5-[allyl(mesyl)amino]-7-methoxy-3-methyl-4-nitro-1H-indole-2-carboxylic acid Formula: C15H17N3O7S MolecularWeight: 383.37638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OC)C(=O)O

Isomeric SMILES

CC1=C(NC2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OC)C(=O)O

InChI

InChI=1S/C15H17N3O7S/c1-5-6-17(26(4,23)24)9-7-10(25-3)13-11(14(9)18(21)22)8(2)12(16-13)15(19)20/h5,7,16H,1,6H2,2-4H3,(H,19,20)