ethyl 4-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]methyl-methyl-amino]benzoate

Systemtic Name: ethyl 4-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]methyl-methyl-amino]benzoate Openeye Name: ethyl 4-[(3-chloro-1,4-dioxo-2-naphthyl)methyl-methyl-amino]benzoate CAS Name: 4-[(3-chloro-1,4-dioxo-2-naphthalenyl)methyl-methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)methyl-methylamino]benzoate Traditional Name: 4-[(3-chloro-1,4-diketo-2-naphthyl)methyl-methyl-amino]benzoic acid ethyl ester Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C)CC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(C)CC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C21H18ClNO4/c1-3-27-21(26)13-8-10-14(11-9-13)23(2)12-17-18(22)20(25)16-7-5-4-6-15(16)19(17)24/h4-11H,3,12H2,1-2H3