[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C27H18N2O6S MolecularWeight: 498.50662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-])C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)OCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-])C=CC=C4C2=O

InChI

InChI=1S/C27H18N2O6S/c30-24(28-16-5-3-6-17(13-16)29(33)34)14-35-25(31)15-36-23-12-11-19-18-7-1-2-8-20(18)27(32)22-10-4-9-21(23)26(19)22/h1-13H,14-15H2,(H,28,30)