8-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-7H-pyrrolo[2,1-c][1,4]benzodiazepine-7-sulfinic acid

Systemtic Name: 8-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-7H-pyrrolo[2,1-c][1,4]benzodiazepine-7-sulfinic acid Openeye Name: 8-[(E)-3-amino-3-oxo-prop-1-enyl]-7H-pyrrolo[2,1-c][1,4]benzodiazepine-7-sulfinic acid CAS Name: 8-[(E)-3-amino-3-oxoprop-1-enyl]-7H-pyrrolo[2,1-c][1,4]benzodiazepine-7-sulfinic acid IUPAC Name: 8-[(E)-3-amino-3-oxoprop-1-enyl]-7H-pyrrolo[2,1-c][1,4]benzodiazepine-7-sulfinic acid Traditional Name: 8-[(E)-3-amino-3-keto-prop-1-enyl]-7H-pyrrolo[2,1-c][1,4]benzodiazepine-7-sulfinic acid Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN3C=C(C(C3=CN=C2C=C1)S(=O)O)C=CC(=O)N

Isomeric SMILES

C1=CC2=CN3C=C(C(C3=CN=C2C=C1)S(=O)O)/C=C/C(=O)N

InChI

InChI=1S/C15H13N3O3S/c16-14(19)6-5-11-9-18-8-10-3-1-2-4-12(10)17-7-13(18)15(11)22(20)21/h1-9,15H,(H2,16,19)(H,20,21)/b6-5+