(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C21H20N2O6/c1-11(2)15-9-16-14(8-20(24)29-19(16)6-12(15)3)10-28-21(25)13-4-5-17(22)18(7-13)23(26)27/h4-9,11H,10,22H2,1-3H3