4-methyl-5-[(E)-2-nitroprop-1-enyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 4-methyl-5-[(E)-2-nitroprop-1-enyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 4-methyl-5-[(E)-2-nitroprop-1-enyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 4-methyl-5-[(E)-2-nitroprop-1-enyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 4-methyl-5-[(E)-2-nitroprop-1-enyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 4-methyl-5-[(E)-2-nitroprop-1-enyl]-9H-$b-carboline-3-carboxylic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1C(=O)O)NC3=CC=CC(=C32)C=C(C)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CN=C1C(=O)O)NC3=CC=CC(=C32)/C=C(\C)/[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-8(19(22)23)6-10-4-3-5-11-14(10)13-9(2)15(16(20)21)17-7-12(13)18-11/h3-7,18H,1-2H3,(H,20,21)/b8-6+