2-azanyl-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)ethenyl]-6H-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-azanyl-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)ethenyl]-6H-1-benzothiophene-3-carboxylic acid Openeye Name: 2-amino-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)vinyl]-6H-benzothiophene-3-carboxylic acid CAS Name: 2-amino-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)ethenyl]-6H-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-amino-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)ethenyl]-6H-1-benzothiophene-3-carboxylic acid Traditional Name: 2-amino-7,7-dimethyl-5-[(E)-2-(4-nitrophenyl)vinyl]-6H-benzothiophene-3-carboxylic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC2=C1SC(=C2C(=O)O)N)C=CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=CC2=C1SC(=C2C(=O)O)N)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N2O4S/c1-19(2)10-12(4-3-11-5-7-13(8-6-11)21(24)25)9-14-15(18(22)23)17(20)26-16(14)19/h3-9H,10,20H2,1-2H3,(H,22,23)/b4-3+