ethyl (2S)-2-[(2,4-dinitronaphthalen-1-yl)amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: ethyl (2S)-2-[(2,4-dinitronaphthalen-1-yl)amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl (2S)-2-[(2,4-dinitro-1-naphthyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[(2,4-dinitro-1-naphthalenyl)amino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2,4-dinitronaphthalen-1-yl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[(2,4-dinitro-1-naphthyl)amino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NC2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7/c1-2-31-21(26)17(11-13-7-9-14(25)10-8-13)22-20-16-6-4-3-5-15(16)18(23(27)28)12-19(20)24(29)30/h3-10,12,17,22,25H,2,11H2,1H3/t17-/m0/s1