ethyl (2S)-2-[[3-bromanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[3-bromanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(3-bromo-1,4-dioxo-2-naphthyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(3-bromo-1,4-dioxo-2-naphthalenyl)amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(3-bromo-1,4-dioxonaphthalen-2-yl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(3-bromo-1,4-diketo-2-naphthyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Br

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Br

InChI

InChI=1S/C21H18BrNO4/c1-2-27-21(26)16(12-13-8-4-3-5-9-13)23-18-17(22)19(24)14-10-6-7-11-15(14)20(18)25/h3-11,16,23H,2,12H2,1H3/t16-/m0/s1