2-(carboxymethylamino)ethanoic acid; 6,8-dimethyl-3-(4-nitrophenyl)carbonyl-7-oxidanyl-chromen-2-one

Systemtic Name: 2-(carboxymethylamino)ethanoic acid; 6,8-dimethyl-3-(4-nitrophenyl)carbonyl-7-oxidanyl-chromen-2-one Openeye Name: 2-(carboxymethylamino)acetic acid; 7-hydroxy-6,8-dimethyl-3-(4-nitrobenzoyl)chromen-2-one CAS Name: 2-(carboxymethylamino)acetic acid; 7-hydroxy-6,8-dimethyl-3-[(4-nitrophenyl)-oxomethyl]-1-benzopyran-2-one IUPAC Name: 2-(carboxymethylamino)acetic acid; 7-hydroxy-6,8-dimethyl-3-(4-nitrobenzoyl)chromen-2-one Traditional Name: 2-(carboxymethylamino)acetic acid; 7-hydroxy-6,8-dimethyl-3-(4-nitrobenzoyl)coumarin Formula: C22H20N2O10 MolecularWeight: 472.4016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C=C(C(=O)O2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)O.C(C(=O)O)NCC(=O)O

Isomeric SMILES

CC1=C(C(=C2C(=C1)C=C(C(=O)O2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)O.C(C(=O)O)NCC(=O)O

InChI

InChI=1S/C18H13NO6.C4H7NO4/c1-9-7-12-8-14(18(22)25-17(12)10(2)15(9)20)16(21)11-3-5-13(6-4-11)19(23)24;6-3(7)1-5-2-4(8)9/h3-8,20H,1-2H3;5H,1-2H2,(H,6,7)(H,8,9)