ethyl 2-[2-[(2-methyl-3-nitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoate; 2-methyl-3-nitro-benzoic acid

Systemtic Name: ethyl 2-[2-[(2-methyl-3-nitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoate; 2-methyl-3-nitro-benzoic acid Openeye Name: ethyl 2-[2-[(2-methyl-3-nitro-benzoyl)amino]thiazol-4-yl]acetate; 2-methyl-3-nitro-benzoic acid CAS Name: 2-methyl-3-nitrobenzoic acid; 2-[2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate; 2-methyl-3-nitrobenzoic acid Traditional Name: 2-methyl-3-nitro-benzoic acid; 2-[2-[(2-methyl-3-nitro-benzoyl)amino]thiazol-4-yl]acetic acid ethyl ester Formula: C23H22N4O9S MolecularWeight: 530.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C.CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C.CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H15N3O5S.C8H7NO4/c1-3-23-13(19)7-10-8-24-15(16-10)17-14(20)11-5-4-6-12(9(11)2)18(21)22;1-5-6(8(10)11)3-2-4-7(5)9(12)13/h4-6,8H,3,7H2,1-2H3,(H,16,17,20);2-4H,1H3,(H,10,11)