(phenylmethyl) 2'-azanyl-6'-bromanyl-3'-cyano-2-methyl-5-oxidanylidene-spiro[1H-pyrrole-4,4'-chromene]-3-carboxylate

Systemtic Name: (phenylmethyl) 2'-azanyl-6'-bromanyl-3'-cyano-2-methyl-5-oxidanylidene-spiro[1H-pyrrole-4,4'-chromene]-3-carboxylate Openeye Name: benzyl 2'-amino-6'-bromo-3'-cyano-2-methyl-5-oxo-spiro[1H-pyrrole-4,4'-chromene]-3-carboxylate CAS Name: 2-amino-6-bromo-3-cyano-2'-methyl-5'-oxo-3'-spiro[1-benzopyran-4,4'-1H-pyrrole]carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2'-amino-6'-bromo-3'-cyano-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3-carboxylate Traditional Name: 2'-amino-6'-bromo-3'-cyano-5-keto-2-methyl-spiro[2-pyrroline-4,4'-chromene]-3-carboxylic acid benzyl ester Formula: C22H16BrN3O4 MolecularWeight: 466.28414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2(C3=C(C=CC(=C3)Br)OC(=C2C#N)N)C(=O)N1)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2(C3=C(C=CC(=C3)Br)OC(=C2C#N)N)C(=O)N1)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H16BrN3O4/c1-12-18(20(27)29-11-13-5-3-2-4-6-13)22(21(28)26-12)15-9-14(23)7-8-17(15)30-19(25)16(22)10-24/h2-9H,11,25H2,1H3,(H,26,28)